(2E)-2-prop-2-enoxyiminopropan-1-amine

C6H12N2O — CID 58684746

IUPAC(2E)-2-prop-2-enoxyiminopropan-1-amine
SMILESC=CCO/N=C(\C)CN
InChIInChI=1S/C6H12N2O/c1-3-4-9-8-6(2)5-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyJPYDQIKEISFLPN-SOFGYWHQSA-N
MW128.17 g/mol
LogP0.52
Rot. Bonds4

About (2E)-2-prop-2-enoxyiminopropan-1-amine

(2E)-2-prop-2-enoxyiminopropan-1-amine (PubChem CID 58684746) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2E)-2-prop-2-enoxyiminopropan-1-amine.

Molecular Properties

Compound Name(2E)-2-prop-2-enoxyiminopropan-1-amine
PubChem CID58684746
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2E)-2-prop-2-enoxyiminopropan-1-amine
SMILESC=CCO/N=C(\C)CN
InChIInChI=1S/C6H12N2O/c1-3-4-9-8-6(2)5-7/h3H,1,4-5,7H2,2H3/b8-6+
InChIKeyJPYDQIKEISFLPN-SOFGYWHQSA-N
XLogP0.52
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enoxypentan-3-imine
CID 174974673
2-prop-2-enoxyiminopropanoic acid
CID 54318593
(2E)-2-prop-2-enoxyiminopropanoic acid;O-prop-2-enylhydroxylamine
CID 88723475
CID 102351890
CID 102351890
N-prop-2-enoxydecan-5-imine
CID 140989225
ethyl 3-bromo-2-prop-2-enoxyiminopropanoate
CID 118021342
2-prop-2-enoxyiminopropanedioate;silver
CID 118523482
disilver;2-prop-2-enoxyiminopropanedioate
CID 118523479
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
N-ethoxybutan-2-imine
CID 54202913
prop-2-enyl N-prop-2-enoxybenzenecarboximidate
CID 165355751
(2E)-2-phenoxyiminopropan-1-amine
CID 58684229

Frequently Asked Questions

What is the IUPAC name of (2E)-2-prop-2-enoxyiminopropan-1-amine?
The IUPAC name of (2E)-2-prop-2-enoxyiminopropan-1-amine (CID 58684746) is (2E)-2-prop-2-enoxyiminopropan-1-amine.
What is the SMILES notation for (2E)-2-prop-2-enoxyiminopropan-1-amine?
The canonical SMILES for (2E)-2-prop-2-enoxyiminopropan-1-amine is C=CCO/N=C(\C)CN.
What is the InChIKey of (2E)-2-prop-2-enoxyiminopropan-1-amine?
The InChIKey is JPYDQIKEISFLPN-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-9-8-6(2)5-7/h3H,1,4-5,7H2,2H3/b8-6+.
What are the key properties of (2E)-2-prop-2-enoxyiminopropan-1-amine?
(2E)-2-prop-2-enoxyiminopropan-1-amine has a molecular weight of 128.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-prop-2-enoxyiminopropan-1-amine is sourced from PubChem (CID 58684746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).